2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one

C19H21N5O3 — CID 126951142

IUPAC2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
SMILESCOCCn1c(C2CCCN2C(=O)c2cnc[nH]2)nc2ccccc2c1=O
InChIInChI=1S/C19H21N5O3/c1-27-10-9-24-17(22-14-6-3-2-5-13(14)18(24)25)16-7-4-8-23(16)19(26)15-11-20-12-21-15/h2-3,5-6,11-12,16H,4,7-10H2,1H3,(H,20,21)
InChIKeyAEQXPNVKCNHHBY-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.74
Rot. Bonds5

About 2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one

2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one (PubChem CID 126951142) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
PubChem CID126951142
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
SMILESCOCCn1c(C2CCCN2C(=O)c2cnc[nH]2)nc2ccccc2c1=O
InChIInChI=1S/C19H21N5O3/c1-27-10-9-24-17(22-14-6-3-2-5-13(14)18(24)25)16-7-4-8-23(16)19(26)15-11-20-12-21-15/h2-3,5-6,11-12,16H,4,7-10H2,1H3,(H,20,21)
InChIKeyAEQXPNVKCNHHBY-UHFFFAOYSA-N
XLogP1.74
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126951131
3-(2-methoxyethyl)-2-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951136
3-(2-methoxyethyl)-2-[1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951128
3-cyclopentyl-2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949887
3-(2-methoxyethyl)-2-[1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951110
3-(2-methoxyethyl)-2-[1-(morpholine-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951121
3-(2-hydroxyethyl)-2-[1-(2-methoxyethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950815
2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126950695
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126951186
3-(2-hydroxyethyl)-2-[1-(pyrimidine-2-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950746
3-(2-methoxyethyl)-2-[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951223
2-(1-isoquinolin-1-ylpyrrolidin-2-yl)-3-(2-methoxyethyl)quinazolin-4-one
CID 126951219

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one?
The IUPAC name of 2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one (CID 126951142) is 2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one.
What is the SMILES notation for 2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one?
The canonical SMILES for 2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one is COCCn1c(C2CCCN2C(=O)c2cnc[nH]2)nc2ccccc2c1=O.
What is the InChIKey of 2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one?
The InChIKey is AEQXPNVKCNHHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-27-10-9-24-17(22-14-6-3-2-5-13(14)18(24)25)16-7-4-8-23(16)19(26)15-11-20-12-21-15/h2-3,5-6,11-12,16H,4,7-10H2,1H3,(H,20,21).
What are the key properties of 2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one?
2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one has a molecular weight of 367.41 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one is sourced from PubChem (CID 126951142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).